N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide

C17H16FIN2O2 — CID 121454910

IUPACN-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide
SMILESCCOc1cc(C(=O)Nc2cc(C3CC3)ccn2)c(F)cc1I
InChIInChI=1S/C17H16FIN2O2/c1-2-23-15-8-12(13(18)9-14(15)19)17(22)21-16-7-11(5-6-20-16)10-3-4-10/h5-10H,2-4H2,1H3,(H,20,21,22)
InChIKeyYXWXOUGVLIZPTF-UHFFFAOYSA-N
MW426.23 g/mol
LogP4.35
Rot. Bonds5

About N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide

N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide (PubChem CID 121454910) has the molecular formula C17H16FIN2O2 and a molecular weight of 426.23 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide
PubChem CID121454910
Molecular FormulaC17H16FIN2O2
Molecular Weight426.23 g/mol
Exact Mass426.02
IUPAC NameN-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide
SMILESCCOc1cc(C(=O)Nc2cc(C3CC3)ccn2)c(F)cc1I
InChIInChI=1S/C17H16FIN2O2/c1-2-23-15-8-12(13(18)9-14(15)19)17(22)21-16-7-11(5-6-20-16)10-3-4-10/h5-10H,2-4H2,1H3,(H,20,21,22)
InChIKeyYXWXOUGVLIZPTF-UHFFFAOYSA-N
XLogP4.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide?
The IUPAC name of N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide (CID 121454910) is N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide.
What is the SMILES notation for N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide?
The canonical SMILES for N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide is CCOc1cc(C(=O)Nc2cc(C3CC3)ccn2)c(F)cc1I.
What is the InChIKey of N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide?
The InChIKey is YXWXOUGVLIZPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FIN2O2/c1-2-23-15-8-12(13(18)9-14(15)19)17(22)21-16-7-11(5-6-20-16)10-3-4-10/h5-10H,2-4H2,1H3,(H,20,21,22).
What are the key properties of N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide?
N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide has a molecular weight of 426.23 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-2-pyridinyl)-5-ethoxy-2-fluoro-4-iodobenzamide is sourced from PubChem (CID 121454910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).